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- W2040377917 abstract "We report on a comprehensive experimental and theoretical study of the quasi-one-dimensional quantum magnet CuNCN. Based on magnetization measurements above room temperature, as well as muon spin rotation and electron spin resonance measurements, we unequivocally establish the localized Cu${}^{+2}$-based magnetism and the magnetic transition around 70 K, both controversially discussed in the previous literature. Thermodynamic data conform to the uniform-spin-chain model with a nearest-neighbor intrachain coupling of about 2300 K, in remarkable agreement with the microscopic magnetic model based on density functional theory band-structure calculations. Using exact diagonalization and the coupled-cluster method we derive a collinear antiferromagnetic order with a strongly reduced ordered moment of about 0.4 ${ensuremath{mu}}_{B}$, indicating strong quantum fluctuations inherent to this quasi-one-dimensional spin system. We reanalyze the available neutron-scattering data, and conclude that they are not sufficient to resolve or disprove the magnetic order in CuNCN. By contrast, spectroscopic techniques indeed show signatures of long-range magnetic order below 70 K, yet with a rather broad distribution of internal field probed by implanted muons. We contemplate the possible structural origin of this effect and emphasize the strong anisotropic reflection broadening observed with synchrotron powder x-ray diffraction on stoichiometric samples of CuNCN, as well as possible deviations from the ideal CuNCN stoichiometry." @default.
- W2040377917 created "2016-06-24" @default.
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- W2040377917 date "2012-06-26" @default.
- W2040377917 modified "2023-09-27" @default.
- W2040377917 title "Hidden magnetic order in CuNCN" @default.
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- W2040377917 doi "https://doi.org/10.1103/physrevb.85.224431" @default.
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